4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3C5=CC=CC=C5OC)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3C5=CC=CC=C5OC)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H21N3O5S/c1-15-8-10-19-17(12-24(30)34-25(19)16(15)2)14-35-26-27-20-13-18(29(31)32)9-11-21(20)28(26)22-6-4-5-7-23(22)33-3/h4-13H,14H2,1-3H3